Name: Name:2,1,3-Benzoxadiazole-5-carboxylic acid, ethyl ester, 1-oxide
Brand: Angene
SKU: AG001YY4
Rating: 90 (10 reviews)

2,1,3-Benzoxadiazole-5-carboxylic acid, ethyl ester, 1-oxide

CAS No.:

17348-71-9

Catalog Number:

AG001YY4

Molecular Formula:

C9H8N2O4

Molecular Weight:

208.1708

Catalog Number:

AG001YY4

Chemical Name:

2,1,3-Benzoxadiazole-5-carboxylic acid, ethyl ester, 1-oxide

CAS Number:

17348-71-9

Molecular Formula:

C9H8N2O4

Molecular Weight:

208.1708

MDL Number:

MFCD00276595

IUPAC Name:

ethyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate

InChI:

InChI=1S/C9H8N2O4/c1-2-14-9(12)6-3-4-8-7(5-6)10-15-11(8)13/h3-5H,2H2,1H3

InChI Key:

PNSWPHLJTBSRJR-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc2c(c1)no[n+]2[O-]

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.173g/mol

Monoisotopic Mass:

208.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6